Welcome: an Introduction to this Site
NMRPipe: a Comprehensive Software System for Biomolecular NMR
Special Applications: NMR Drug Screening, Automation, and so on
Dipolar Couplings, Chemical Shifts, and Protein Structure
Miscellaneous

Frank's CV, Recent Slides, and Thesis

 

  

 

  Frank Delaglio, Ph.D.

   Software Science Consultant
  13840 Grey Colt Drive
  North Potomac MD 20878 USA

  Tel: 301 806-0867
  Fax: 301 309-8717
  E-mail: delaglio@nmrscience.com



NMRWish Built-In TCL Functions
dynSetCoord: Set the coordinates of the given atom.

Flag Argument Default Description
 -src pdbSrc Source of Structure Data.
Atom Selection. Use Only One:
 -atomEntry loc Location of Atom Entry.
 -sID sID Selection ID.
Parameters to Set:
 -x xCoord X Coord.
 -y yCoord Y Coord.
 -z zCoord Z Coord.
 -atomID atomID Atom ID Number.
 -res resID Res ID Number.
 -resName resName Res Name.
 -atomName atomName Atom Name.
 -chainName chainName Chain Name.
 -segName segName Seg Name.
 -chargeStr chargeStr Charge (2-Char PDB Value).
 -charge charge Charge (Internal Value).
 -occ occ Occupancy.
 -temp temp Temperature Factor.

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last updated: Apr 20, 2011 / big frank

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